============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 14 1.040 8.336 6.236 18.368 -99.200 -91.000 TRP6 14 1.020 7.066 8.129 19.096 -99.200 -91.000 PHE 19 1.000 12.566 -5.357 3.159 -99.200 -91.000 TRP 37 1.040 22.676 10.419 14.312 -99.200 -91.000 TRP6 37 1.020 24.439 8.844 14.152 -99.200 -91.000 HIS 43 0.900 19.175 -8.979 19.544 -99.200 -91.000 TYR 47 0.840 23.624 -14.335 18.551 -99.200 -91.000 TRP 49 1.040 21.866 -18.000 16.409 -99.200 -91.000 TRP6 49 1.020 19.881 -16.864 16.994 -99.200 -91.000 PHE 53 1.000 22.004 -9.428 8.545 -99.200 -91.000 HIS 65 0.900 -1.049 0.600 10.228 -99.200 -91.000 TYR 70 0.840 7.174 1.615 -2.003 -99.200 -91.000 TYR 84 0.840 29.266 5.024 13.864 -99.200 -91.000 HIS 86 0.900 28.822 -0.221 24.557 -99.200 -91.000 TYR 89 0.840 26.138 -7.380 21.050 -99.200 -91.000 TRP 91 1.040 29.794 -11.223 20.112 -99.200 -91.000 TRP6 91 1.020 30.835 -13.336 19.828 -99.200 -91.000 PHE 110 1.000 12.019 14.398 11.647 -99.200 -91.000 TYR 113 0.840 1.181 9.419 7.525 -99.200 -91.000 HIS 115 0.900 7.825 14.344 15.584 -99.200 -91.000 TYR 132 0.840 5.586 4.470 37.823 -99.200 -91.000 TRP 139 1.040 5.182 -3.805 11.021 -99.200 -91.000 TRP6 139 1.020 6.679 -1.983 11.162 -99.200 -91.000 TRP 146 1.040 2.928 -19.661 12.896 -99.200 -91.000 TRP6 146 1.020 4.786 -18.674 13.984 -99.200 -91.000 PHE 178 1.000 13.865 -1.436 30.628 -99.200 -91.000 TYR 182 0.840 0.422 -7.070 32.007 -99.200 -91.000 PHE 201 1.000 9.295 -0.510 28.240 -99.200 -91.000 PHE 207 1.000 6.735 13.891 36.086 -99.200 -91.000 TRP 211 1.040 4.031 9.126 23.422 -99.200 -91.000 TRP6 211 1.020 3.426 7.045 24.412 -99.200 -91.000 TYR 212 0.840 11.158 11.983 27.522 -99.200 -91.000 TRP 219 1.040 18.242 -10.672 26.897 -99.200 -91.000 TRP6 219 1.020 17.770 -12.271 28.585 -99.200 -91.000 TYR 229 0.840 8.558 -11.867 34.584 -99.200 -91.000 PHE 231 1.000 15.155 -10.534 31.490 -99.200 -91.000 TYR 232 0.840 11.624 -4.765 26.865 -99.200 -91.000 HIS 234 0.900 18.302 1.803 32.310 -99.200 -91.000 PHE 236 1.000 20.043 8.386 32.362 -99.200 -91.000 TRP 241 1.040 28.437 3.835 22.459 -99.200 -91.000 TRP6 241 1.020 26.682 3.122 21.038 -99.200 -91.000 PHE 249 1.000 32.109 8.271 14.952 -99.200 -91.000